2-[(Z)-[3-(3-carboxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Formula:C15H13NO5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[3-(3-carboxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[3-(3-carboxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MolecularFormula	C15H13NO5S2
Smiles	OC(CCCN(C(/C(/S1)=C/c(cccc2)c2C(O)=O)=O)C1=S)=O
InChI	InChI=1S/C15H13NO5S2/c17-12(18)6-3-7-16-13(19)11(23-15(16)22)8-9-4-1-2-5-10(9)14(20)21/h1-2,4-5,8H,3,6-7H2,(H,17,18)(H,20,21)
InChIK	OIZSFELWWYFVHK-UHFFFAOYSA-N
TotalMolweight	351.402
Molweight	351.402
MonoisotopicMass	351.023514
CLogP	0.921
CLogS	-3.466
H Acceptors	6
H Donors	2
TotalSurfaceArea	252.2
Relative PSA	0.45345
PolarSurfaceArea	152.3
Druglikeness	3.1786
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	1
AcidicOxygens	2
StereoCon

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